Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate
TL;DR: Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate (CAS 62671-90-3) is a chemical compound with molecular formula C10H11NO7S2 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) 4-nitrobenzenesulfonate
Also Known As: 1,1-dioxidotetrahydrothiophen-3-yl 4-nitrobenzenesulfonate, Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate, (1,1-dioxothiolan-3-yl) 4-nitrobenzenesulfonate, 1-hydroxy-1-oxothiolan-3-yl 4-nitrobenzenesulfonate, 1,1-dioxidotetrahydro-3-thienyl 4-nitrobenzenesulfonate
| Molecular Formula | C10H11NO7S2 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 0.4872 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.99768 |
| Heavy Atoms | 20 |
| Complexity | 721.3745 |
Chemical Identifiers
| CAS Number | 62671-90-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate (CAS 62671-90-3), with molecular formula C10H11NO7S2 and molecular weight 321.00 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) 4-nitrobenzenesulfonate.
Chemical Property Profile of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate
Property Insights of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate
The XLogP value of 0.4872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate?
The CAS number of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate is 62671-90-3.
What is the molecular formula of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate?
The molecular formula of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate is C10H11NO7S2.
What is the molecular weight of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate?
The molecular weight of Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate is 321.00 g/mol.
Where can I buy Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate?
You can request a quote for Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-1,1-dioxido-3-thienyl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.